4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide

C11H19F3N2O2 — CID 113327534

IUPAC4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCCCCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)3-1-2-6-16-9(17)10(15)4-7-18-8-5-10/h1-8,15H2,(H,16,17)
InChIKeyZYSSKKMIDGWABT-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds5

About 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide

4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide (PubChem CID 113327534) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
PubChem CID113327534
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCCCCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)3-1-2-6-16-9(17)10(15)4-7-18-8-5-10/h1-8,15H2,(H,16,17)
InChIKeyZYSSKKMIDGWABT-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide (CID 113327534) is 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide is NC1(C(=O)NCCCCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide?
The InChIKey is ZYSSKKMIDGWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)3-1-2-6-16-9(17)10(15)4-7-18-8-5-10/h1-8,15H2,(H,16,17).
What are the key properties of 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide?
4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide is sourced from PubChem (CID 113327534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).